(8S,9S)-4-(Hydroxymethyl)-8,9-Dihydro-8,9-Tetraphenediol

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Properties Simple | Detailed

Formula C19H16O3
IUPAC Name (8s,9s)-4-(hydroxymethyl)-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -294.2 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 336.69 Å 3
Surface Area 300.33 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s)-4-(hydroxymethyl)-8,9-dihydrobenzo[h]phenanthrene-8,9-diol
  • (8s,9s)-4-methylol-8,9-dihydrobenzo[h]phenanthrene-8,9-diol
  • 4-hydroxymethylbenz(a)anthracene-8,9-dihydrodiol
  • 4-ohmba-8,9
  • benz(a)anthracene-8,9-diol, 8,9-dihydro-4-(hydroxymethyl)-, (8s-trans)-
CAS Number(s)
  • 88054-38-0
  • 88195-59-9
InChIKey JVWJCZSPINOKSQ-OALUTQOASA-N
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